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3-piperazin-1-yl-1H-indole;dihydrochloride

C12H17Cl2N3 — CID 172915789

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-piperazin-1-yl-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c(N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C12H15N3.2ClH/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15;;/h1-4,9,13-14H,5-8H2;2*1H
InChIKeyRNGXJFMGKITUDW-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.42
Rot. Bonds1

About 3-piperazin-1-yl-1H-indole;dihydrochloride

3-piperazin-1-yl-1H-indole;dihydrochloride (PubChem CID 172915789) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-indole;dihydrochloride
PubChem CID172915789
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3-piperazin-1-yl-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c(N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C12H15N3.2ClH/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15;;/h1-4,9,13-14H,5-8H2;2*1H
InChIKeyRNGXJFMGKITUDW-UHFFFAOYSA-N
XLogP2.42
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-indole;dihydrochloride?
The IUPAC name of 3-piperazin-1-yl-1H-indole;dihydrochloride (CID 172915789) is 3-piperazin-1-yl-1H-indole;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-yl-1H-indole;dihydrochloride?
The canonical SMILES for 3-piperazin-1-yl-1H-indole;dihydrochloride is Cl.Cl.c1ccc2c(N3CCNCC3)c[nH]c2c1.
What is the InChIKey of 3-piperazin-1-yl-1H-indole;dihydrochloride?
The InChIKey is RNGXJFMGKITUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15;;/h1-4,9,13-14H,5-8H2;2*1H.
What are the key properties of 3-piperazin-1-yl-1H-indole;dihydrochloride?
3-piperazin-1-yl-1H-indole;dihydrochloride has a molecular weight of 274.19 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-indole;dihydrochloride is sourced from PubChem (CID 172915789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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